N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-propan-2-ylindol-4-yl)oxyacetamide

C17H22N2O4S — CID 124855022

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-propan-2-ylindol-4-yl)oxyacetamide
SMILESCC(C)n1ccc2c(OCC(=O)N[C@H]3CCS(=O)(=O)C3)cccc21
InChIInChI=1S/C17H22N2O4S/c1-12(2)19-8-6-14-15(19)4-3-5-16(14)23-10-17(20)18-13-7-9-24(21,22)11-13/h3-6,8,12-13H,7,9-11H2,1-2H3,(H,18,20)/t13-/m0/s1
InChIKeyYKEKSOXKYJDBTM-ZDUSSCGKSA-N
MW350.44 g/mol
LogP1.90
Rot. Bonds5

About N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-propan-2-ylindol-4-yl)oxyacetamide

N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-propan-2-ylindol-4-yl)oxyacetamide (PubChem CID 124855022) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-propan-2-ylindol-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-propan-2-ylindol-4-yl)oxyacetamide
PubChem CID124855022
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-propan-2-ylindol-4-yl)oxyacetamide
SMILESCC(C)n1ccc2c(OCC(=O)N[C@H]3CCS(=O)(=O)C3)cccc21
InChIInChI=1S/C17H22N2O4S/c1-12(2)19-8-6-14-15(19)4-3-5-16(14)23-10-17(20)18-13-7-9-24(21,22)11-13/h3-6,8,12-13H,7,9-11H2,1-2H3,(H,18,20)/t13-/m0/s1
InChIKeyYKEKSOXKYJDBTM-ZDUSSCGKSA-N
XLogP1.90
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-(1-propan-2-ylindol-4-yl)oxyacetamide
CID 91823205
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-methylindol-4-yl)oxyacetamide
CID 124878602
N-(1,1-dioxothiolan-3-yl)-2-[1-(2-methylpropyl)indol-4-yl]oxyacetamide
CID 91822129
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
CID 125123918
2-(1-propan-2-ylindol-4-yl)oxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 91822455
2-(2-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 6601206
[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-naphthalen-1-yloxyacetate
CID 3461875
2-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]benzoic acid
CID 43214296
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(1-propan-2-ylindol-4-yl)oxyacetamide
CID 110205323
2-(1-propan-2-ylindol-4-yl)oxy-N-(pyridin-2-ylmethyl)acetamide
CID 91822099
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 7259881
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 7259878

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-propan-2-ylindol-4-yl)oxyacetamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-propan-2-ylindol-4-yl)oxyacetamide (CID 124855022) is N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-propan-2-ylindol-4-yl)oxyacetamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-propan-2-ylindol-4-yl)oxyacetamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-propan-2-ylindol-4-yl)oxyacetamide is CC(C)n1ccc2c(OCC(=O)N[C@H]3CCS(=O)(=O)C3)cccc21.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-propan-2-ylindol-4-yl)oxyacetamide?
The InChIKey is YKEKSOXKYJDBTM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-12(2)19-8-6-14-15(19)4-3-5-16(14)23-10-17(20)18-13-7-9-24(21,22)11-13/h3-6,8,12-13H,7,9-11H2,1-2H3,(H,18,20)/t13-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-propan-2-ylindol-4-yl)oxyacetamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-propan-2-ylindol-4-yl)oxyacetamide has a molecular weight of 350.44 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-propan-2-ylindol-4-yl)oxyacetamide is sourced from PubChem (CID 124855022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).